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Details

Stereochemistry RACEMIC
Molecular Formula C3H6O2.Al.Cl
Molecular Weight 136.513
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of PGAC-112

SMILES

[Al+3].[Cl-].CC([O-])C[O-]

InChI

InChIKey=LDUKSRDTQXCSMD-UHFFFAOYSA-M
InChI=1S/C3H6O2.Al.ClH/c1-3(5)2-4;;/h3H,2H2,1H3;;1H/q-2;+3;/p-1

HIDE SMILES / InChI

Molecular Formula Al
Molecular Weight 26.9815386
Charge 3
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula ClH
Molecular Weight 36.461
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula C3H6O2
Molecular Weight 74.0785
Charge -2
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry RACEMIC
Additional Stereochemistry No
Defined Stereocenters 0 / 1
E/Z Centers 0
Optical Activity ( + / - )

Approval Year

Substance Class Chemical
Record UNII
DZ3GL0SY28
Record Status Validated (UNII)
Record Version